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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@413 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -40,6 +40,14 @@ angle type 1 to be computed with a <I>harmonic</I> potential with
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coefficients 80.0, 1.2 for K, r0. All other angle types (2-N) would
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be computed with a <I>cosine</I> potential with coefficient 50.0 for K.
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</P>
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<P>If the angle <I>class2</I> potential is one of the hybrid styles, it
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requires additional BondBond and BondAngle coefficients be specified
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in the data file. These lines must also have an additional "class2"
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argument added after the angle type. For angle types which are
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assigned to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The BondBond and BondAngle coeffs for that
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angle type will then be ignored.
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</P>
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<P>An angle style of <I>none</I> can be specified as an argument to
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angle_style hybrid and the corresponding angle_coeff commands, if you
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desire to turn off certain angle types.
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@ -37,6 +37,14 @@ angle type 1 to be computed with a {harmonic} potential with
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coefficients 80.0, 1.2 for K, r0. All other angle types (2-N) would
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be computed with a {cosine} potential with coefficient 50.0 for K.
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If the angle {class2} potential is one of the hybrid styles, it
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requires additional BondBond and BondAngle coefficients be specified
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in the data file. These lines must also have an additional "class2"
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argument added after the angle type. For angle types which are
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assigned to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The BondBond and BondAngle coeffs for that
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angle type will then be ignored.
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An angle style of {none} can be specified as an argument to
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angle_style hybrid and the corresponding angle_coeff commands, if you
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desire to turn off certain angle types.
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@ -41,6 +41,15 @@ potential with coefficients 80.0, 1.2 for K, d, n. Dihedral type 2
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would be computed with a <I>helix</I> potential with coefficients 10.0,
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10.0, 10.0 for A, B, C.
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</P>
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<P>If the dihedral <I>class2</I> potential is one of the hybrid styles, it
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requires additional MiddleBondTorsion, EndBondTorsion, AngleTorsion,
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AngleAngleTorsion, and BondBond13 coefficients be specified in the
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data file. These lines must also have an additional "class2" argument
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added after the dihedral type. For dihedral types which are assigned
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to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The MiddleBondTorsion, etc coeffs for that
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dihedral type will then be ignored.
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</P>
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<P>A dihedral style of <I>none</I> can be specified as an argument to
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dihedral_style hybrid and the corresponding dihedral_coeff commands,
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if you desire to turn off certain dihedral types.
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@ -38,6 +38,15 @@ potential with coefficients 80.0, 1.2 for K, d, n. Dihedral type 2
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would be computed with a {helix} potential with coefficients 10.0,
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10.0, 10.0 for A, B, C.
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If the dihedral {class2} potential is one of the hybrid styles, it
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requires additional MiddleBondTorsion, EndBondTorsion, AngleTorsion,
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AngleAngleTorsion, and BondBond13 coefficients be specified in the
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data file. These lines must also have an additional "class2" argument
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added after the dihedral type. For dihedral types which are assigned
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to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The MiddleBondTorsion, etc coeffs for that
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dihedral type will then be ignored.
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A dihedral style of {none} can be specified as an argument to
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dihedral_style hybrid and the corresponding dihedral_coeff commands,
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if you desire to turn off certain dihedral types.
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@ -41,7 +41,7 @@ displace_atoms flow ramp x 0.0 5.0 y 2.0 20.5
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Displace a group of atoms. This can be useful to move atoms a large
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<P>Displace a group of atoms. This can be used to move atoms a large
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distance before beginning a simulation. For example, in a shear
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simulation, an initial strain can be imposed on the system. Or two
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groups of atoms can be brought into closer proximity.
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@ -74,7 +74,7 @@ large distance.
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<P>This command requires inter-processor communication to migrate atoms
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once they have been displaced. This means that your system must be
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ready to perform a simulation before using this command (force fields
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setup, atom masses set, etc).
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are setup, atom masses are set, etc).
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</P>
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<P><B>Related commands:</B>
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</P>
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@ -33,7 +33,7 @@ displace_atoms flow ramp x 0.0 5.0 y 2.0 20.5 :pre
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[Description:]
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Displace a group of atoms. This can be useful to move atoms a large
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Displace a group of atoms. This can be used to move atoms a large
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distance before beginning a simulation. For example, in a shear
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simulation, an initial strain can be imposed on the system. Or two
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groups of atoms can be brought into closer proximity.
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@ -66,7 +66,7 @@ large distance.
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This command requires inter-processor communication to migrate atoms
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once they have been displaced. This means that your system must be
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ready to perform a simulation before using this command (force fields
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setup, atom masses set, etc).
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are setup, atom masses are set, etc).
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[Related commands:]
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@ -41,6 +41,14 @@ potential with coefficients 120.0, 30 for K, X0. Improper type 2
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would be computed with a <I>cvff</I> potential with coefficients 20.0, -1,
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2 for K, d, n.
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</P>
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<P>If the improper <I>class2</I> potential is one of the hybrid styles, it
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requires additional AngleAngle coefficients be specified in the data
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file. These lines must also have an additional "class2" argument
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added after the improper type. For improper types which are assigned
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to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The AngleAngle coeffs for that improper
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type will then be ignored.
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</P>
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<P>An improper style of <I>none</I> can be specified as an argument to
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improper_style hybrid and the corresponding improper_coeff commands,
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if you desire to turn off certain improper types.
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@ -38,6 +38,14 @@ potential with coefficients 120.0, 30 for K, X0. Improper type 2
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would be computed with a {cvff} potential with coefficients 20.0, -1,
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2 for K, d, n.
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If the improper {class2} potential is one of the hybrid styles, it
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requires additional AngleAngle coefficients be specified in the data
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file. These lines must also have an additional "class2" argument
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added after the improper type. For improper types which are assigned
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to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The AngleAngle coeffs for that improper
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type will then be ignored.
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An improper style of {none} can be specified as an argument to
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improper_style hybrid and the corresponding improper_coeff commands,
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if you desire to turn off certain improper types.
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